ChemSpider 2D Image | (1R,10S,11S,12R,13R,14R)-4,11,12,13,14-Pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.0~1,10~.0~3,8~]pentadeca-3,5,7-triene-2,9-dione | C16H16O9

(1R,10S,11S,12R,13R,14R)-4,11,12,13,14-Pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-triene-2,9-dione

  • Molecular FormulaC16H16O9
  • Average mass352.293 Da
  • Monoisotopic mass352.079437 Da
  • ChemSpider ID34981905

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,10S,11S,12R,13R,14R)-4,11,12,13,14-Pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-trien-2,9-dion [German] [ACD/IUPAC Name]
(1R,10S,11S,12R,13R,14R)-4,11,12,13,14-Pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-triene-2,9-dione [ACD/IUPAC Name]
(1R,10S,11S,12R,13R,14R)-4,11,12,13,14-Pentahydroxy-6-méthoxy-12-méthyl-15-oxatétracyclo[8.4.1.01,10.03,8]pentadéca-3,5,7-triène-2,9-dione [French] [ACD/IUPAC Name]
4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-, (1S,2R,3R,4R,4aR,9aS)- [ACD/Index Name]
auxarthrol C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 737.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 276.7±26.4 °C
Index of Refraction: 1.747
Molar Refractivity: 78.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 113.50
ACD/KOC (pH 5.5): 990.55
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 10.46
ACD/KOC (pH 7.4): 91.31
Polar Surface Area: 157 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 113.7±5.0 dyne/cm
Molar Volume: 192.7±5.0 cm3

Click to predict properties on the Chemicalize site


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